(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol

C8H12OS — CID 143175776

IUPAC(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
SMILESCSC1=CC=C(CO)CC1
InChIInChI=1S/C8H12OS/c1-10-8-4-2-7(6-9)3-5-8/h2,4,9H,3,5-6H2,1H3
InChIKeyQVCSEOPVSHMAJO-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.95
Rot. Bonds2

About (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol

(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol (PubChem CID 143175776) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol.

Molecular Properties

Compound Name(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
PubChem CID143175776
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
SMILESCSC1=CC=C(CO)CC1
InChIInChI=1S/C8H12OS/c1-10-8-4-2-7(6-9)3-5-8/h2,4,9H,3,5-6H2,1H3
InChIKeyQVCSEOPVSHMAJO-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Trifluoromethylsulfanyl)cyclohexa-1,3-dien-1-yl]methanol
CID 123853733
cis-1,2-Dihydroxy-3-methyl-6-methylthiocyclohexa-3,5-diene
CID 11182901
Cyclohexen-1-yl(methylsulfanyl)methanol
CID 54330648
(2,3-Dimethylcyclohexa-1,3-dien-1-yl)methanol
CID 122692141
(3-Methylcyclohexa-1,3-dien-1-yl)methanol
CID 123140542
1-Cyclohexa-1,3-dien-1-yl-2-(trimethyl-lambda4-sulfanyl)ethanol
CID 123682573
S-[[6-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]methyl] ethanethioate
CID 123902313
5,7-Dimethyl-2-methylsulfanyl-4-prop-1-en-2-ylocta-2,4,6-trien-1-ol
CID 123978448
(6-Methyl-4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
CID 139455904
Ethane;(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol
CID 143175775
2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]-3-methyl-5,6-dimethylidene-4-methylsulfanylcyclohexa-1,3-dien-1-ol
CID 143962524
(3-Methylsulfanyl-6,7-dihydronaphthalen-2-yl)methanol
CID 144526898

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The IUPAC name of (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol (CID 143175776) is (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol.
What is the SMILES notation for (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The canonical SMILES for (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol is CSC1=CC=C(CO)CC1.
What is the InChIKey of (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
The InChIKey is QVCSEOPVSHMAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-10-8-4-2-7(6-9)3-5-8/h2,4,9H,3,5-6H2,1H3.
What are the key properties of (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol?
(4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol has a molecular weight of 156.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfanylcyclohexa-1,3-dien-1-yl)methanol is sourced from PubChem (CID 143175776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).